4,17-Dihydroxypregn-4-ene-3,20-dione 4-acetate 17-hexanoate (CHEM076944)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 17:02:32 UTC | ||||||||
| Update Date | 2026-04-04 17:02:32 UTC | ||||||||
| Accession Number | CHEM076944 | ||||||||
| Identification | |||||||||
| Common Name | 4,17-Dihydroxypregn-4-ene-3,20-dione 4-acetate 17-hexanoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4,17-Dihydroxypregn-4-ene-3,20-dione 4-acetate 17-hexanoate belongs to the pregnane steroids, a subclass of steroids and steroid derivatives within the organic compounds. This lipid and lipid-like molecule has the formula C29H42O6 and an average molecular weight of 486.65 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C29H42O6 | ||||||||
| Average Molecular Mass | 486.649 g/mol | ||||||||
| Monoisotopic Mass | 486.298 g/mol | ||||||||
| CAS Registry Number | 94135-06-5 | ||||||||
| IUPAC Name | [(8R,9S,10R,13S,14S,17R)-17-acetyl-4-acetyloxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=C(OC(C)=O)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O | ||||||||
| InChI Identifier | InChI=1S/C29H42O6/c1-6-7-8-9-25(33)35-29(18(2)30)17-13-22-20-10-11-23-26(34-19(3)31)24(32)14-15-27(23,4)21(20)12-16-28(22,29)5/h20-22H,6-17H2,1-5H3/t20-,21+,22+,27-,28+,29+/m1/s1 | ||||||||
| InChI Key | WRZVFSQVZDEDIK-NTLFILIOSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
